Geometry & MOs

Info

ID:

312024

PubChem CID:

126601965

Reduced:

BrNO5C22H24 (1)

Stoich.:

ABC5D22E24 (1)

Weight, g/mol:

599.268316

ΔHf, kcal/mol:

-171.27

Dipole, Da:

6.32

IP(EA), eV:

 -8.84(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-2H-chromen-6-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-(hydroxymethyl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)C=O)Br)C2=CC3=C(C=C2)OCCC3)C(C(=O)O)OC(C)(C)C

DOS

IR

Vibrations